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EC number: 946-490-8 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 October 2016 to 11 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
Reference
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 October 2016 to 11 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- pour point
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark - Key result
- Remarks on result:
- other: Overall pour point result: -12 to -9 ± 3 °C (261 to 264 ± 3 K)
- Conclusions:
- The pour point of the test item has been determined to be -12 to -9 ± 3 °C (261 to 264 ± 3 K).
- Executive summary:
The melting/freezing temperature of the test substance was determined to be -12 to -9 ± 3 °C (261 to 264 ± 3 K) using pour point method designed to be compatible with Method A.1 Melting/Freezing Temperature of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 102 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Preliminary Test:
The pour point of the preliminary test was -11 ± 3 °C (262 ± 3 K).
Main Test:
The results of the main test are shown in the following table:
| Determination 1 | Determination 2 | |
| Stationary point (⁰C) | -15.0 | -12.0 |
| Pour Point (⁰C) | -12.0 | -9.0 |
| Overall pour point result: -12 to -9 ± 3 °C (261 to 264 ± 3 K) | ||
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
Reference
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 October 2016 to 11 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- differential scanning calorimetry
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark - Key result
- Atm. press.:
- 100.2 kPa
- Decomposition:
- yes
- Decomp. temp.:
- 202 °C
- Remarks on result:
- other: Decomposition from approximately 202 °C (475 K)
- Conclusions:
- The test item has been determined to decompose from approximately 202 °C (475 K) at 102 kPa). As a result, no value for the boiling point of the test item could be determined.
- Executive summary:
Decomposition from approximately 202 °C (475 K) at 102 kPa by differential scanning calorimetry, designed to be compatible with Method A.2 Boiling Temperature of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 103 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. As a result, no value for the boiling point of the test item could be determined.
| Thermal Event | Interpretation | Temperature (⁰C) | |
| Exotherm | onset of decomposition | Determination 1 | Determination 2 |
| 203.63 | 202.23 | ||
Atmospheric pressure: 102 kPa
After heating to 400 °C, the samples had lost approximately 26% and 27% of their original weight respectively.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
Reference
- Endpoint:
- relative density
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 October 2016 to 11 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.3 (Relative Density)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 109 (Density of Liquids and Solids)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- pycnometer method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark - Dynamic viscosity of test material:
- Purified water with a resistivity of greater than 15MΩ.
- Key result
- Type:
- relative density
- Density:
- 0.893
- Temp.:
- 20 °C
- Conclusions:
- The density of the test item has been determined to be 893 kg/m3 at 20.0 ± 2.0 °C and a relative density of 0.893.
- Executive summary:
The test substance density was determined to be 893 kg/m3 at 20.0 ± 2.0 °C, relative density of 0.893, by gas comparison pycnometer, designed to be compatible with Method A.3 Relative Density of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 109 of the OECD Guidelines for Testing of Chemicals, 02 October 2012.
| Measurement | Determination | |
| 1 | 2 | |
| Mass of pycnometer (g) | 17.3512 | 17.0608 |
| Mass of pycnometer and purified water at 20.2 °C (g) | 27.5639 | 27.2288 |
| Mass of pycnometer and test item at 20.2 °C (g) | 26.4855 | 26.1613 |
| Density of water at 20.2 °C (kg/m3) | 998.20 | |
| Density (kg/m3) | 893 | 893 |
| Mean density : 893 kg/m3 Mean relative density : 0.893 Temperature : 20.0 ± 0.5 °C |
||
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
Reference
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 October 2016 to 11 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark - Key result
- Water solubility:
- < 0.001 other: gTOC/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 0.1 g/L
- Incubation duration:
- 24 h
- Temp.:
- 20 °C
- pH:
- 5.8
- Details on results:
- The preliminary estimates of water solubility at 20.0 ± 0.5 °C are shown in the following information:
Loading Rate (g/L) / Concentration (gTOC/L) / pH
0.1 / <1.0E-3 / 6.3
1 / 2.1E-3 / 6.3
Definitive Test: The results for the total organic carbon analysis are shown in the following table:
Solution / TOC (mgTOC/L):
Matrix blank A= 0.395
Matrix blank B= 0.340
Sample 1A= 0.573
Sample 1B= 0.676
Sample 2A= 0.582
Sample 2B= 0.584
Sample 3A= 0.981
Sample 3B= 0.949 - Conclusions:
- The water solubility of the test item has been determined at 20.0 ± 0.5 °C and a nominal loading rate of 0.1 g/L to be less than 1.0 x 10-3 gTOC/L.
- Executive summary:
Water Solubility was determined to be less than 1.0 x 10-3 gTOC/L at 20.0 ± 0.5 °C from a nominal loading rate of 0.1 g/L using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Definitive Test
The concentration (g/L) of test item in the sample solutions is shown in the following table:
| Sample Number | Concentration (gTOC/L) | Solution pH |
| 1 | < 1.0 E-3 | 5.8 |
| 2 | < 1.0 E-3 | 5.8 |
| 3 | < 1.0 E-3 | 5.8 |
Overall result: less than 1.0 x 10-3 gTOC/L at 20.0 ± 0.5 ºC
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
Reference
- Endpoint:
- surface tension
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 October 2016 to 11 November 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Reason / purpose for cross-reference:
- other: Study report pertains to multiple endpoints.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.5 (Surface Tension)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 115 (Surface Tension of Aqueous Solutions)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- ring method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark - Key result
- Surface tension:
- 72 mN/m
- Temp.:
- 21.6 °C
- Conc.:
- 0.001 other: g/mL
- Remarks on result:
- other: sample 2
- Key result
- Surface tension:
- 72.3 mN/m
- Temp.:
- 21.6 °C
- Conc.:
- 0.001 other: g/mL
- Remarks on result:
- other: sample 3
- Conclusions:
- The surface tension of duplicate solutions prepared at a nominally 90 % saturated solutions of test item in water has been determined to be 72.2 mN/m at 21.6 ± 0.5 °C. The test item was considered not to be surface-active.
- Executive summary:
The surface tension was determined to be 72.2 mN/m (90% saturated solution) at 21.6 ± 0.5 °C using a ring method, designed to be compatible with Method A5 Surface Tension of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 115 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. The test item was considered not to be surface-active.
SAMPLE 1:
Age of Solution (min) / Reading (mN/m) / Temperature (deg C)
79 / 37.0 / 21.8
90 / 67.0 / 21.8
103 / 67.0 / 21.8
114 / 67.0 / 21.8
123 / 67.0 / 21.8
SAMPLE 2:
Age of Solution (min) / Reading (mN/m) / Temperature (deg C)
1098 / 70.0 / 21.8
1110 / 71.0 / 21.8
1124 / 71.5 / 21.6
1142 / 72.0 / 21.6
1166 / 72.0 / 21.6
1178 / 72.0 / 21.4
1196 / 72.0 / 21.4
1207 / 72.0 / 21.4
SAMPLE 3:
Age of Solution (min) / Reading (mN/m) / Temperature (deg C)
72 / 72.5 / 21.6
87 / 72.0 / 21.6
99 / 72.0 / 21.6
111 / 72.5 / 21.8
123 / 72.5 / 21.8
Mean Sample 1 result : 67.0 mN/m
pH of Sample 1 : 5.5
Mean Sample 2 result* : 72.0 mN/m
pH of Sample 2 : 6.2
Mean Sample 3 result : 72.3 mN/m
pH of Sample 2 : 5.9 Mean result (Samples 2 and 3): 72.2 mN/m
Overall temperature : 21.6 ± 0.5 ºC
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Fatty acids, C16-18-UNSATD., trimers, tris(16-Methylheptadecyl) esters
- EC Number:
- 600-407-9
- Cas Number:
- 103213-22-5
- IUPAC Name:
- Fatty acids, C16-18-UNSATD., trimers, tris(16-Methylheptadecyl) esters
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: CBI
- Expiration date of the lot/batch: 10 June 2018
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature, in the dark
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 10 000 000 000
- Remarks on result:
- other: The partition coefficient of the test item has been determined to be greater than 1.0E10, log10 Pow >10.0.
- Details on results:
- Preliminary Estimate: The estimated log10 Pow for the representative structure of the test item was calculated to be from 31.1
Definitive Test: The partition coefficient of the test item has been determined to be >1.0 x 10^10 with a log10 Pow of >10.0.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item has been determined to be >1.0 E10 with a log10 Pow of >10.0.
- Executive summary:
The partition coefficient (n-octanol/water) was determined to be greater than 1.0 x 10^10, log10 Pow of >10.0, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
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